4QHX
Crystal structure of a putative two-domain sugar hydrolase (BACCAC_02064) from Bacteroides caccae ATCC 43185 at 1.80 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-04 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97934,0.95369,0.97913 |
Spacegroup name | H 3 |
Unit cell lengths | 110.042, 110.042, 105.557 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.643 - 1.800 |
R-factor | 0.1507 |
Rwork | 0.149 |
R-free | 0.17890 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.525 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.643 | 1.860 | |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.052 | 0.026 | 0.503 |
Number of reflections | 43818 | 8577 | 7742 |
<I/σ(I)> | 9.27 | 23.4 | 1.6 |
Completeness [%] | 96.5 | 96.1 | 91.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.16M ammonium sulfate, 20.0% Glycerol, 20.0% polyethylene glycol 4000, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |